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CHEBI:59128 - O-methylsalicylate

Default Structure
ChEBI IDCHEBI:59128
ChEBI NameO-methylsalicylate
Stars
ASCII NameO-methylsalicylate
DefinitionConjugate base of O-methylsalicylic acid.
Last Modified24 September 2021
SubmitterSteve
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESCOc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyILUJQPXNXACGAN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
O-methylsalicylate (CHEBI:59128) is a methoxybenzoate (CHEBI:25236)
O-methylsalicylate (CHEBI:59128) is conjugate base of O-methylsalicylic acid (CHEBI:421840)
Incoming Relation(s)
2-methoxybenzoyl-AMP(1−) (CHEBI:188493) has functional parent O-methylsalicylate (CHEBI:59128)
2-methoxybenzoyl-CoA(4−) (CHEBI:188490) has functional parent O-methylsalicylate (CHEBI:59128)
3,6-dichloro-2-methoxybenzoate (CHEBI:141349) has functional parent O-methylsalicylate (CHEBI:59128)
O-methylsalicylic acid (CHEBI:421840) is conjugate acid of O-methylsalicylate (CHEBI:59128)
Synonym  Source
o-methoxybenzoic acid anionChEBI
UniProt Name  Source
2-methoxybenzoateUniProt
Registry NumbersSources
Gmelin:329974Gmelin
Reaxys:3905613Reaxys